6-imino-1-methylpyrimidin-4-amine;hydrochloride

C5H9ClN4 — CID 54598995

IUPAC6-imino-1-methylpyrimidin-4-amine;hydrochloride
SMILESCl.[H]/N=c1\cc(N)ncn1C
InChIInChI=1S/C5H8N4.ClH/c1-9-3-8-4(6)2-5(9)7;/h2-3,7H,6H2,1H3;1H/b7-5+;
InChIKeyCTZFSOTWDMQGRL-GZOLSCHFSA-N
MW160.61 g/mol
LogP-0.10
Rot. Bonds

About 6-imino-1-methylpyrimidin-4-amine;hydrochloride

6-imino-1-methylpyrimidin-4-amine;hydrochloride (PubChem CID 54598995) has the molecular formula C5H9ClN4 and a molecular weight of 160.61 g/mol. Its IUPAC name is 6-imino-1-methylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-imino-1-methylpyrimidin-4-amine;hydrochloride
PubChem CID54598995
Molecular FormulaC5H9ClN4
Molecular Weight160.61 g/mol
Exact Mass160.05
IUPAC Name6-imino-1-methylpyrimidin-4-amine;hydrochloride
SMILESCl.[H]/N=c1\cc(N)ncn1C
InChIInChI=1S/C5H8N4.ClH/c1-9-3-8-4(6)2-5(9)7;/h2-3,7H,6H2,1H3;1H/b7-5+;
InChIKeyCTZFSOTWDMQGRL-GZOLSCHFSA-N
XLogP-0.10
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-imino-1-methylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-imino-1-methylpyrimidin-4-amine;hydrochloride (CID 54598995) is 6-imino-1-methylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-imino-1-methylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-imino-1-methylpyrimidin-4-amine;hydrochloride is Cl.[H]/N=c1\cc(N)ncn1C.
What is the InChIKey of 6-imino-1-methylpyrimidin-4-amine;hydrochloride?
The InChIKey is CTZFSOTWDMQGRL-GZOLSCHFSA-N. The full InChI is InChI=1S/C5H8N4.ClH/c1-9-3-8-4(6)2-5(9)7;/h2-3,7H,6H2,1H3;1H/b7-5+;.
What are the key properties of 6-imino-1-methylpyrimidin-4-amine;hydrochloride?
6-imino-1-methylpyrimidin-4-amine;hydrochloride has a molecular weight of 160.61 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1-methylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 54598995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).