N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine

C17H32N4 — CID 63966537

IUPACN-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
SMILESCCC(C)(C)N(C)c1cnc(C(C)C)nc1CNC(C)C
InChIInChI=1S/C17H32N4/c1-9-17(6,7)21(8)15-11-19-16(12(2)3)20-14(15)10-18-13(4)5/h11-13,18H,9-10H2,1-8H3
InChIKeyGKOVQCUHOGKEQQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.72
Rot. Bonds7

About N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine

N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine (PubChem CID 63966537) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
PubChem CID63966537
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
SMILESCCC(C)(C)N(C)c1cnc(C(C)C)nc1CNC(C)C
InChIInChI=1S/C17H32N4/c1-9-17(6,7)21(8)15-11-19-16(12(2)3)20-14(15)10-18-13(4)5/h11-13,18H,9-10H2,1-8H3
InChIKeyGKOVQCUHOGKEQQ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine with MolForge

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Related Compounds

N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62278744
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62288127
2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine
CID 113378133
N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247722
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62288310
N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-propylpyrimidin-5-amine
CID 62278678
N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine
CID 62292264
N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine
CID 62279544
5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926548
N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62278849
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62282983

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine (CID 63966537) is N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine is CCC(C)(C)N(C)c1cnc(C(C)C)nc1CNC(C)C.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
The InChIKey is GKOVQCUHOGKEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-9-17(6,7)21(8)15-11-19-16(12(2)3)20-14(15)10-18-13(4)5/h11-13,18H,9-10H2,1-8H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine has a molecular weight of 292.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine is sourced from PubChem (CID 63966537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).