4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine

C14H28N6 — CID 143492545

IUPAC4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
SMILESCC1CN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)CCN1
InChIInChI=1S/C14H28N6/c1-10-8-20(6-5-17-10)11-7-14(16,9-13(2,3)4)19-12(15)18-11/h7,10,17H,5-6,8-9,16H2,1-4H3,(H3,15,18,19)
InChIKeyAVBUEAJKRFWNBA-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.13
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine

4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 143492545) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
PubChem CID143492545
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
SMILESCC1CN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)CCN1
InChIInChI=1S/C14H28N6/c1-10-8-20(6-5-17-10)11-7-14(16,9-13(2,3)4)19-12(15)18-11/h7,10,17H,5-6,8-9,16H2,1-4H3,(H3,15,18,19)
InChIKeyAVBUEAJKRFWNBA-UHFFFAOYSA-N
XLogP0.13
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.13
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-(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
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
4-(3,3-dimethylbutyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150913111
4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 151029507
4-(2,2-dimethylpropyl)-6-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 151029508

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine (CID 143492545) is 4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine is CC1CN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)CCN1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is AVBUEAJKRFWNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-10-8-20(6-5-17-10)11-7-14(16,9-13(2,3)4)19-12(15)18-11/h7,10,17H,5-6,8-9,16H2,1-4H3,(H3,15,18,19).
What are the key properties of 4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 0.13, 2 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-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).