2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine

C17H18N4O — CID 155969385

IUPAC2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESC[C@H](Nc1nccc(N(C)c2ccccc2)n1)c1ccco1
InChIInChI=1S/C17H18N4O/c1-13(15-9-6-12-22-15)19-17-18-11-10-16(20-17)21(2)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyCMOMIVYFPACTLM-ZDUSSCGKSA-N
MW294.36 g/mol
LogP4.01
Rot. Bonds5

About 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine

2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 155969385) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID155969385
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESC[C@H](Nc1nccc(N(C)c2ccccc2)n1)c1ccco1
InChIInChI=1S/C17H18N4O/c1-13(15-9-6-12-22-15)19-17-18-11-10-16(20-17)21(2)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyCMOMIVYFPACTLM-ZDUSSCGKSA-N
XLogP4.01
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60727078
4-N-methyl-4-N-phenyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112902028
2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112884385
4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen
CID 142035804
4-N-methyl-4-N-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893868
2-N-(2-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902024
2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902020
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671
1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726592
N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902066
(4S)-3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273182
4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902093

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 155969385) is 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is C[C@H](Nc1nccc(N(C)c2ccccc2)n1)c1ccco1.
What is the InChIKey of 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is CMOMIVYFPACTLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13(15-9-6-12-22-15)19-17-18-11-10-16(20-17)21(2)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(furan-2-yl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 155969385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).