4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

C13H18N4O — CID 112883488

IUPAC4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCc2ccco2)n1
InChIInChI=1S/C13H18N4O/c1-3-10(2)16-12-6-7-14-13(17-12)15-9-11-5-4-8-18-11/h4-8,10H,3,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyYTTRRMSTMPBFHJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.89
Rot. Bonds6

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

4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112883488) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112883488
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCc2ccco2)n1
InChIInChI=1S/C13H18N4O/c1-3-10(2)16-12-6-7-14-13(17-12)15-9-11-5-4-8-18-11/h4-8,10H,3,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyYTTRRMSTMPBFHJ-UHFFFAOYSA-N
XLogP2.89
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
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-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
4-N-butan-2-yl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112883512
methyl 4-[[2-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112889360
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (CID 112883488) is 4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is CCC(C)Nc1ccnc(NCc2ccco2)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is YTTRRMSTMPBFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-10(2)16-12-6-7-14-13(17-12)15-9-11-5-4-8-18-11/h4-8,10H,3,9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).