2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine

C14H18N4O2 — CID 128993039

IUPAC2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
SMILESc1cc(NC2CCCOC2)nc(NCc2ccoc2)n1
InChIInChI=1S/C14H18N4O2/c1-2-12(10-19-6-1)17-13-3-5-15-14(18-13)16-8-11-4-7-20-9-11/h3-5,7,9,12H,1-2,6,8,10H2,(H2,15,16,17,18)
InChIKeyOPAGGAAPNXEZBW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.27
Rot. Bonds5

About 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine

2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine (PubChem CID 128993039) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
PubChem CID128993039
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
SMILESc1cc(NC2CCCOC2)nc(NCc2ccoc2)n1
InChIInChI=1S/C14H18N4O2/c1-2-12(10-19-6-1)17-13-3-5-15-14(18-13)16-8-11-4-7-20-9-11/h3-5,7,9,12H,1-2,6,8,10H2,(H2,15,16,17,18)
InChIKeyOPAGGAAPNXEZBW-UHFFFAOYSA-N
XLogP2.27
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333487
4-N-[(3R)-oxan-3-yl]-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 129338410
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]acetic acid
CID 122047247
[2-[[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 128996848
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341639
2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341030
2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129343882
2-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333489
2-N-[(3S)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333491
4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 128996036
(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol
CID 129332796
4-methyl-2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]pentanoic acid
CID 122062510

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine (CID 128993039) is 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine is c1cc(NC2CCCOC2)nc(NCc2ccoc2)n1.
What is the InChIKey of 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is OPAGGAAPNXEZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-12(10-19-6-1)17-13-3-5-15-14(18-13)16-8-11-4-7-20-9-11/h3-5,7,9,12H,1-2,6,8,10H2,(H2,15,16,17,18).
What are the key properties of 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine?
2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 128993039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).