2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide

C11H18N4O2 — CID 114220437

IUPAC2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)(C)CO)nc(N)n1
InChIInChI=1S/C11H18N4O2/c1-7-5-8(14-10(12)13-7)9(17)15(4)11(2,3)6-16/h5,16H,6H2,1-4H3,(H2,12,13,14)
InChIKeyMQBBINJDDKSSRP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.21
Rot. Bonds3

About 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide

2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 114220437) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID114220437
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)(C)CO)nc(N)n1
InChIInChI=1S/C11H18N4O2/c1-7-5-8(14-10(12)13-7)9(17)15(4)11(2,3)6-16/h5,16H,6H2,1-4H3,(H2,12,13,14)
InChIKeyMQBBINJDDKSSRP-UHFFFAOYSA-N
XLogP0.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N,6-dimethylpyrimidine-4-carboxamide
CID 88855458
{(3R*,4R*)-4-{[[2-(dimethylamino)ethyl](methyl)amino]methyl}-1-[(2,6-dimethylpyrimidin-4-yl)carbonyl]pyrrolidin-3-yl}methanol
CID 70728326
N-(3-ethoxypropyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 71688584
N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71688607
N-(2-methoxyethyl)-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 71830615
N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945499
N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 95825823
{(3R*,4R*)-4-(1-azepanylmethyl)-1-[(2,6-dimethyl-4-pyrimidinyl)carbonyl]-3-pyrrolidinyl}methanol
CID 72923622
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 50976603
2-(diethylamino)-N-(2-hydroxyethyl)-6-methylpyrimidine-4-carboxamide
CID 60182005
2-(dimethylamino)-6-methyl-N-(propan-2-yl)pyrimidine-4-carboxamide
CID 60182045
(2-amino-6-methylpyrimidin-4-yl)-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methanone
CID 95556432

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide (CID 114220437) is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)C(C)(C)CO)nc(N)n1.
What is the InChIKey of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is MQBBINJDDKSSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-5-8(14-10(12)13-7)9(17)15(4)11(2,3)6-16/h5,16H,6H2,1-4H3,(H2,12,13,14).
What are the key properties of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide?
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 114220437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).