2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine

C20H29N7O — CID 97153674

IUPAC2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ccnc(N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1
InChIInChI=1S/C20H29N7O/c1-4-21-17-5-6-22-18(26-17)24-15-11-20(2,3)12-16-14(15)13-23-19(25-16)27-7-9-28-10-8-27/h5-6,13,15H,4,7-12H2,1-3H3,(H2,21,22,24,26)/t15-/m1/s1
InChIKeySJGIJCANEQKUFV-OAHLLOKOSA-N
MW383.50 g/mol
LogP2.66
Rot. Bonds5

About 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine

2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 97153674) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine
PubChem CID97153674
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ccnc(N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1
InChIInChI=1S/C20H29N7O/c1-4-21-17-5-6-22-18(26-17)24-15-11-20(2,3)12-16-14(15)13-23-19(25-16)27-7-9-28-10-8-27/h5-6,13,15H,4,7-12H2,1-3H3,(H2,21,22,24,26)/t15-/m1/s1
InChIKeySJGIJCANEQKUFV-OAHLLOKOSA-N
XLogP2.66
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine (CID 97153674) is 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine is CCNc1ccnc(N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1.
What is the InChIKey of 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is SJGIJCANEQKUFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N7O/c1-4-21-17-5-6-22-18(26-17)24-15-11-20(2,3)12-16-14(15)13-23-19(25-16)27-7-9-28-10-8-27/h5-6,13,15H,4,7-12H2,1-3H3,(H2,21,22,24,26)/t15-/m1/s1.
What are the key properties of 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine?
2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 383.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 97153674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).