4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine

C12H17N5O — CID 80796098

IUPAC4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(N(C)Cc2ccoc2C)nc(N)n1
InChIInChI=1S/C12H17N5O/c1-8-9(4-5-18-8)7-17(3)11-6-10(14-2)15-12(13)16-11/h4-6H,7H2,1-3H3,(H3,13,14,15,16)
InChIKeyWNMKZUNPBJBLMW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.64
Rot. Bonds4

About 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine

4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80796098) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80796098
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(N(C)Cc2ccoc2C)nc(N)n1
InChIInChI=1S/C12H17N5O/c1-8-9(4-5-18-8)7-17(3)11-6-10(14-2)15-12(13)16-11/h4-6H,7H2,1-3H3,(H3,13,14,15,16)
InChIKeyWNMKZUNPBJBLMW-UHFFFAOYSA-N
XLogP1.64
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine (CID 80796098) is 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine is CNc1cc(N(C)Cc2ccoc2C)nc(N)n1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is WNMKZUNPBJBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-9(4-5-18-8)7-17(3)11-6-10(14-2)15-12(13)16-11/h4-6H,7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine?
4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 247.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80796098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).