2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine

C14H18N4O — CID 80986494

IUPAC2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)Cc1ccoc1
InChIInChI=1S/C14H18N4O/c1-9-12(15)16-13(11-3-4-11)17-14(9)18(2)7-10-5-6-19-8-10/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16,17)
InChIKeyHTGXGZCLJHSLRW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.47
Rot. Bonds4

About 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80986494) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80986494
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)Cc1ccoc1
InChIInChI=1S/C14H18N4O/c1-9-12(15)16-13(11-3-4-11)17-14(9)18(2)7-10-5-6-19-8-10/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16,17)
InChIKeyHTGXGZCLJHSLRW-UHFFFAOYSA-N
XLogP2.47
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994161
4-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987922
2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80982901
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80984918
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984675
2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80987787
2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80983282
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984160
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80986681
6-(cyclopropylmethoxy)-2-N-(furan-3-ylmethyl)-2-N-methylpyridine-2,5-diamine
CID 61422280
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
2-[furan-3-ylmethyl(methyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 61422717

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80986494) is 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1N(C)Cc1ccoc1.
What is the InChIKey of 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is HTGXGZCLJHSLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-12(15)16-13(11-3-4-11)17-14(9)18(2)7-10-5-6-19-8-10/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).