2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide

C25H32N8O5 — CID 136927873

IUPAC2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
SMILESCOc1c(OC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc12)CCN3
InChIInChI=1S/C25H32N8O5/c1-14-10-32(11-15(2)38-14)12-17(34)13-37-19-5-4-18-20(21(19)36-3)30-25(33-7-6-27-22(18)33)31-23(35)16-8-28-24(26)29-9-16/h4-5,8-9,14-15,17,27,34H,6-7,10-13H2,1-3H3,(H2,26,28,29)/b31-25+/t14-,15+,17-/m0/s1
InChIKeyOLRQCZRNDCPUGQ-QRZQWFIOSA-N
MW524.58 g/mol
LogP0.43
Rot. Bonds7

About 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide

2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide (PubChem CID 136927873) has the molecular formula C25H32N8O5 and a molecular weight of 524.58 g/mol. Its IUPAC name is 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
PubChem CID136927873
Molecular FormulaC25H32N8O5
Molecular Weight524.58 g/mol
Exact Mass524.25
IUPAC Name2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
SMILESCOc1c(OC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc12)CCN3
InChIInChI=1S/C25H32N8O5/c1-14-10-32(11-15(2)38-14)12-17(34)13-37-19-5-4-18-20(21(19)36-3)30-25(33-7-6-27-22(18)33)31-23(35)16-8-28-24(26)29-9-16/h4-5,8-9,14-15,17,27,34H,6-7,10-13H2,1-3H3,(H2,26,28,29)/b31-25+/t14-,15+,17-/m0/s1
InChIKeyOLRQCZRNDCPUGQ-QRZQWFIOSA-N
XLogP0.43
TPSA162.24 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide (CID 136927873) is 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide is COc1c(OC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc12)CCN3.
What is the InChIKey of 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?
The InChIKey is OLRQCZRNDCPUGQ-QRZQWFIOSA-N. The full InChI is InChI=1S/C25H32N8O5/c1-14-10-32(11-15(2)38-14)12-17(34)13-37-19-5-4-18-20(21(19)36-3)30-25(33-7-6-27-22(18)33)31-23(35)16-8-28-24(26)29-9-16/h4-5,8-9,14-15,17,27,34H,6-7,10-13H2,1-3H3,(H2,26,28,29)/b31-25+/t14-,15+,17-/m0/s1.
What are the key properties of 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?
2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide has a molecular weight of 524.58 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[8-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide is sourced from PubChem (CID 136927873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).