N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine

C17H32N4 — CID 62288127

IUPACN-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
SMILESCCCNCc1nc(C(C)C)ncc1N(C)CC(C)(C)C
InChIInChI=1S/C17H32N4/c1-8-9-18-10-14-15(21(7)12-17(4,5)6)11-19-16(20-14)13(2)3/h11,13,18H,8-10,12H2,1-7H3
InChIKeyMRKRKHQTYVHHPX-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.58
Rot. Bonds7

About N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine

N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine (PubChem CID 62288127) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
PubChem CID62288127
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
SMILESCCCNCc1nc(C(C)C)ncc1N(C)CC(C)(C)C
InChIInChI=1S/C17H32N4/c1-8-9-18-10-14-15(21(7)12-17(4,5)6)11-19-16(20-14)13(2)3/h11,13,18H,8-10,12H2,1-7H3
InChIKeyMRKRKHQTYVHHPX-UHFFFAOYSA-N
XLogP3.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62288310
N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62278849
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
CID 63865959
1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol
CID 79390588
N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 63966537
[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088137
N-[[5-(2-methoxyethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
CID 62291090
N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62278744
N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286657
4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62088695
2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine
CID 113378133

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine (CID 62288127) is N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine is CCCNCc1nc(C(C)C)ncc1N(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine?
The InChIKey is MRKRKHQTYVHHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-8-9-18-10-14-15(21(7)12-17(4,5)6)11-19-16(20-14)13(2)3/h11,13,18H,8-10,12H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine?
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine has a molecular weight of 292.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine is sourced from PubChem (CID 62288127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).