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

C15H28N4 — CID 62278744

IUPACN-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
SMILESCC(C)NCc1nc(C(C)C)ncc1N(C)C(C)C
InChIInChI=1S/C15H28N4/c1-10(2)15-17-9-14(19(7)12(5)6)13(18-15)8-16-11(3)4/h9-12,16H,8H2,1-7H3
InChIKeyALRMWBUAJOUROD-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.94
Rot. Bonds6

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

N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine (PubChem CID 62278744) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
PubChem CID62278744
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
SMILESCC(C)NCc1nc(C(C)C)ncc1N(C)C(C)C
InChIInChI=1S/C15H28N4/c1-10(2)15-17-9-14(19(7)12(5)6)13(18-15)8-16-11(3)4/h9-12,16H,8H2,1-7H3
InChIKeyALRMWBUAJOUROD-UHFFFAOYSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 63966537
N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-propylpyrimidin-5-amine
CID 62278678
2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine
CID 113378133
N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62278849
N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 55059092
4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 115987729
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62288127
N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine
CID 62292264
4-(aminomethyl)-N-methyl-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
CID 62285825
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62288310
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-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
The IUPAC name of N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine (CID 62278744) is N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
The canonical SMILES for N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine is CC(C)NCc1nc(C(C)C)ncc1N(C)C(C)C.
What is the InChIKey of N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
The InChIKey is ALRMWBUAJOUROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-10(2)15-17-9-14(19(7)12(5)6)13(18-15)8-16-11(3)4/h9-12,16H,8H2,1-7H3.
What are the key properties of N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine?
N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine has a molecular weight of 264.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine is sourced from PubChem (CID 62278744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).