(6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate

C9H14N4O2 — CID 83820798

IUPAC(6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate
SMILESCc1cc(OC(=O)NCCCN)ncn1
InChIInChI=1S/C9H14N4O2/c1-7-5-8(13-6-12-7)15-9(14)11-4-2-3-10/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyABTNLSCYFISBOE-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.22
Rot. Bonds4

About (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate

(6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate (PubChem CID 83820798) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate.

Molecular Properties

Compound Name(6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate
PubChem CID83820798
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate
SMILESCc1cc(OC(=O)NCCCN)ncn1
InChIInChI=1S/C9H14N4O2/c1-7-5-8(13-6-12-7)15-9(14)11-4-2-3-10/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyABTNLSCYFISBOE-UHFFFAOYSA-N
XLogP0.22
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate
CID 83820797
(6-methylpyrimidin-4-yl) N-(2-amino-2-methylpropyl)carbamate
CID 83823204
(6-methylpyrimidin-4-yl) hydrogen carbonate
CID 67791604
(6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate
CID 83820404
(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate
CID 116819193
(6-methylpyrimidin-4-yl) carbonochloridate
CID 83816428
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
(4-bromophenyl) N-(3-aminopropyl)carbamate
CID 116819177
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 59228638
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519

Frequently Asked Questions

What is the IUPAC name of (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate?
The IUPAC name of (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate (CID 83820798) is (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate.
What is the SMILES notation for (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate?
The canonical SMILES for (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate is Cc1cc(OC(=O)NCCCN)ncn1.
What is the InChIKey of (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate?
The InChIKey is ABTNLSCYFISBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-5-8(13-6-12-7)15-9(14)11-4-2-3-10/h5-6H,2-4,10H2,1H3,(H,11,14).
What are the key properties of (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate?
(6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate has a molecular weight of 210.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate is sourced from PubChem (CID 83820798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).