4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

C14H18N4O2 — CID 126428680

IUPAC4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2cc([C@@H]3CCOC3)nc(N)n2)o1
InChIInChI=1S/C14H18N4O2/c1-9-2-3-11(20-9)7-16-13-6-12(17-14(15)18-13)10-4-5-19-8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H3,15,16,17,18)/t10-/m1/s1
InChIKeyQRGZHJFSGWGCPS-SNVBAGLBSA-N
MW274.32 g/mol
LogP2.08
Rot. Bonds4

About 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126428680) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126428680
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2cc([C@@H]3CCOC3)nc(N)n2)o1
InChIInChI=1S/C14H18N4O2/c1-9-2-3-11(20-9)7-16-13-6-12(17-14(15)18-13)10-4-5-19-8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H3,15,16,17,18)/t10-/m1/s1
InChIKeyQRGZHJFSGWGCPS-SNVBAGLBSA-N
XLogP2.08
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126428680) is 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is Cc1ccc(CNc2cc([C@@H]3CCOC3)nc(N)n2)o1.
What is the InChIKey of 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is QRGZHJFSGWGCPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-2-3-11(20-9)7-16-13-6-12(17-14(15)18-13)10-4-5-19-8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H3,15,16,17,18)/t10-/m1/s1.
What are the key properties of 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126428680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).