2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine

C12H22N4 — CID 112883470

IUPAC2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NC(C)CC)n1
InChIInChI=1S/C12H22N4/c1-5-9(3)14-11-7-8-13-12(16-11)15-10(4)6-2/h7-10H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyBMBTVNWOVVRSOB-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.90
Rot. Bonds6

About 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine

2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine (PubChem CID 112883470) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
PubChem CID112883470
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NC(C)CC)n1
InChIInChI=1S/C12H22N4/c1-5-9(3)14-11-7-8-13-12(16-11)15-10(4)6-2/h7-10H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyBMBTVNWOVVRSOB-UHFFFAOYSA-N
XLogP2.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883503
4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883490
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883488
[2-(butan-2-ylamino)pyrimidin-4-yl]methanol
CID 131110301
N-[4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112883612
4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112883602
4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883648
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine (CID 112883470) is 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine is CCC(C)Nc1ccnc(NC(C)CC)n1.
What is the InChIKey of 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is BMBTVNWOVVRSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-9(3)14-11-7-8-13-12(16-11)15-10(4)6-2/h7-10H,5-6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine?
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).