N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

C16H24N6O — CID 110113842

IUPACN,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(C2COCCN2Cc2nccn2C)n1
InChIInChI=1S/C16H24N6O/c1-12-9-14(20(2)3)19-16(18-12)13-11-23-8-7-22(13)10-15-17-5-6-21(15)4/h5-6,9,13H,7-8,10-11H2,1-4H3
InChIKeyQJMAHYLURYPLNT-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.16
Rot. Bonds4

About N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (PubChem CID 110113842) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
PubChem CID110113842
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(C2COCCN2Cc2nccn2C)n1
InChIInChI=1S/C16H24N6O/c1-12-9-14(20(2)3)19-16(18-12)13-11-23-8-7-22(13)10-15-17-5-6-21(15)4/h5-6,9,13H,7-8,10-11H2,1-4H3
InChIKeyQJMAHYLURYPLNT-UHFFFAOYSA-N
XLogP1.16
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (CID 110113842) is N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is Cc1cc(N(C)C)nc(C2COCCN2Cc2nccn2C)n1.
What is the InChIKey of N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is QJMAHYLURYPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12-9-14(20(2)3)19-16(18-12)13-11-23-8-7-22(13)10-15-17-5-6-21(15)4/h5-6,9,13H,7-8,10-11H2,1-4H3.
What are the key properties of N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 110113842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).