4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine

C15H30N6 — CID 151881713

IUPAC4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CCCN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C15H30N6/c1-14(2,3)10-15(17)8-12(19-13(16)20-15)21-7-5-6-11(9-21)18-4/h8,11,18H,5-7,9-10,17H2,1-4H3,(H3,16,19,20)
InChIKeySOWADVOWERAFOB-UHFFFAOYSA-N
MW294.45 g/mol
LogP0.52
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine

4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 151881713) has the molecular formula C15H30N6 and a molecular weight of 294.45 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID151881713
Molecular FormulaC15H30N6
Molecular Weight294.45 g/mol
Exact Mass294.25
IUPAC Name4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CCCN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C15H30N6/c1-14(2,3)10-15(17)8-12(19-13(16)20-15)21-7-5-6-11(9-21)18-4/h8,11,18H,5-7,9-10,17H2,1-4H3,(H3,16,19,20)
InChIKeySOWADVOWERAFOB-UHFFFAOYSA-N
XLogP0.52
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492540
4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 143492545
4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492550
4-(3,3-dimethylbutyl)-2-N,2-N-dimethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 149705877
4-(2,2-dimethylpropyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150053119
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine
CID 150390182
6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine
CID 150390183
4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150437451
4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 150484580
4-(3,3-dimethylbutyl)-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150499676
4-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150809584
4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine
CID 150885829

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 151881713) is 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine is CNC1CCCN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is SOWADVOWERAFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6/c1-14(2,3)10-15(17)8-12(19-13(16)20-15)21-7-5-6-11(9-21)18-4/h8,11,18H,5-7,9-10,17H2,1-4H3,(H3,16,19,20).
What are the key properties of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 294.45 g/mol, XLogP of 0.52, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 151881713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).