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

C14H26N4 — CID 113378133

IUPAC2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine
SMILESCCCNc1cnc(C(C)C)nc1CNC(C)C
InChIInChI=1S/C14H26N4/c1-6-7-15-12-8-17-14(10(2)3)18-13(12)9-16-11(4)5/h8,10-11,15-16H,6-7,9H2,1-5H3
InChIKeyZZPVMWZOEWMNTN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.92
Rot. Bonds7

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

2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine (PubChem CID 113378133) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine
PubChem CID113378133
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine
SMILESCCCNc1cnc(C(C)C)nc1CNC(C)C
InChIInChI=1S/C14H26N4/c1-6-7-15-12-8-17-14(10(2)3)18-13(12)9-16-11(4)5/h8,10-11,15-16H,6-7,9H2,1-5H3
InChIKeyZZPVMWZOEWMNTN-UHFFFAOYSA-N
XLogP2.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 63966537
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62278744
N-(3-methylbutan-2-yl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62165287
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62288127
N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63499131
N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62173236
N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine
CID 62292264
N-ethyl-N,2-di(propan-2-yl)-5-(propylamino)pyrimidine-4-carboxamide
CID 62169296
N-(2-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63500828
N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 62290994
N-[(2-propan-2-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 62757867

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine?
The IUPAC name of 2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine (CID 113378133) is 2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine.
What is the SMILES notation for 2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine?
The canonical SMILES for 2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine is CCCNc1cnc(C(C)C)nc1CNC(C)C.
What is the InChIKey of 2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine?
The InChIKey is ZZPVMWZOEWMNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-7-15-12-8-17-14(10(2)3)18-13(12)9-16-11(4)5/h8,10-11,15-16H,6-7,9H2,1-5H3.
What are the key properties of 2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine?
2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine has a molecular weight of 250.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[(propan-2-ylamino)methyl]-N-propylpyrimidin-5-amine is sourced from PubChem (CID 113378133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).