6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

C18H20N4O2 — CID 112858660

IUPAC6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCC(C)Oc1ccc(Nc2cc(NCc3ccco3)ncn2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(2)24-15-7-5-14(6-8-15)22-18-10-17(20-12-21-18)19-11-16-4-3-9-23-16/h3-10,12-13H,11H2,1-2H3,(H2,19,20,21,22)
InChIKeyMPSYGRRSCNDODY-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.21
Rot. Bonds7

About 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112858660) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID112858660
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCC(C)Oc1ccc(Nc2cc(NCc3ccco3)ncn2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(2)24-15-7-5-14(6-8-15)22-18-10-17(20-12-21-18)19-11-16-4-3-9-23-16/h3-10,12-13H,11H2,1-2H3,(H2,19,20,21,22)
InChIKeyMPSYGRRSCNDODY-UHFFFAOYSA-N
XLogP4.21
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112915397
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323
4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858686
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113011417
4-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109209555
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (CID 112858660) is 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is CC(C)Oc1ccc(Nc2cc(NCc3ccco3)ncn2)cc1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is MPSYGRRSCNDODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(2)24-15-7-5-14(6-8-15)22-18-10-17(20-12-21-18)19-11-16-4-3-9-23-16/h3-10,12-13H,11H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 324.38 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).