acetylene;5-N-methylpyrimidine-4,5-diamine

C7H10N4 — CID 143435475

IUPACacetylene;5-N-methylpyrimidine-4,5-diamine
SMILESC#C.CNc1cncnc1N
InChIInChI=1S/C5H8N4.C2H2/c1-7-4-2-8-3-9-5(4)6;1-2/h2-3,7H,1H3,(H2,6,8,9);1-2H
InChIKeySBRLCGSTKPWEQD-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.35
Rot. Bonds1

About acetylene;5-N-methylpyrimidine-4,5-diamine

acetylene;5-N-methylpyrimidine-4,5-diamine (PubChem CID 143435475) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is acetylene;5-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Nameacetylene;5-N-methylpyrimidine-4,5-diamine
PubChem CID143435475
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Nameacetylene;5-N-methylpyrimidine-4,5-diamine
SMILESC#C.CNc1cncnc1N
InChIInChI=1S/C5H8N4.C2H2/c1-7-4-2-8-3-9-5(4)6;1-2/h2-3,7H,1H3,(H2,6,8,9);1-2H
InChIKeySBRLCGSTKPWEQD-UHFFFAOYSA-N
XLogP0.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
acetylene;4-aminopyrimidine-5-carbonitrile
CID 142135145
N-methylthieno[3,2-d]pyrimidin-7-amine
CID 142501117
5-chloro-3-N-methylpyridine-2,3-diamine
CID 119081728
6-(4-aminopyrimidin-5-yl)-N-methylpyrimidin-4-amine
CID 71170671
(4-aminopyrimidin-5-yl)boronic acid
CID 66664909
4-aminopyrimidine-5-thiol
CID 91218144
N-methylquinazolin-5-amine
CID 149315955
5-but-1-ynylpyrimidin-4-amine
CID 164867669
3-N-methyl-5-phenylpyridine-2,3-diamine
CID 4121982
tert-butyl N-[3-[(4-aminopyrimidin-5-yl)amino]-3-oxopropyl]carbamate
CID 70812164
5-propan-2-yloxypyrimidin-4-amine
CID 118598636

Frequently Asked Questions

What is the IUPAC name of acetylene;5-N-methylpyrimidine-4,5-diamine?
The IUPAC name of acetylene;5-N-methylpyrimidine-4,5-diamine (CID 143435475) is acetylene;5-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for acetylene;5-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for acetylene;5-N-methylpyrimidine-4,5-diamine is C#C.CNc1cncnc1N.
What is the InChIKey of acetylene;5-N-methylpyrimidine-4,5-diamine?
The InChIKey is SBRLCGSTKPWEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.C2H2/c1-7-4-2-8-3-9-5(4)6;1-2/h2-3,7H,1H3,(H2,6,8,9);1-2H.
What are the key properties of acetylene;5-N-methylpyrimidine-4,5-diamine?
acetylene;5-N-methylpyrimidine-4,5-diamine has a molecular weight of 150.18 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;5-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 143435475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).