6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione

C9H13N3O2 — CID 91272695

IUPAC6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
SMILESNCc1cc(=O)n(CC2CC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c10-4-7-3-8(13)12(9(14)11-7)5-6-1-2-6/h3,6H,1-2,4-5,10H2,(H,11,14)
InChIKeyMKKKGNMFNDJALW-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.59
Rot. Bonds3

About 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione

6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 91272695) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID91272695
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
SMILESNCc1cc(=O)n(CC2CC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c10-4-7-3-8(13)12(9(14)11-7)5-6-1-2-6/h3,6H,1-2,4-5,10H2,(H,11,14)
InChIKeyMKKKGNMFNDJALW-UHFFFAOYSA-N
XLogP-0.59
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-1-(cyclopropylmethyl)pyrimidine-2,4-dione
CID 9547718
Uracil, 3-butyl-6-methyl-
CID 70528
Uracil, 6-methyl-4-propyl-
CID 165610
N-cyclopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide
CID 1505767
N-tert-butyl-2-(3-butyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 137640026
3-Isobutyl-6-methyluracil
CID 103331
1-Butyl-6-methyluracil
CID 12703038
1-Isobutyl-6-methyl-uracil
CID 13613065
N-((2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)methyl)acetamide
CID 21793940
N-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]butanamide
CID 21793941
3-Cyclopropyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 83873435
6-methyl-1-propyl-2,4(1H,3H)-pyrimidinedione
CID 1548093

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione (CID 91272695) is 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione is NCc1cc(=O)n(CC2CC2)c(=O)[nH]1.
What is the InChIKey of 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MKKKGNMFNDJALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-4-7-3-8(13)12(9(14)11-7)5-6-1-2-6/h3,6H,1-2,4-5,10H2,(H,11,14).
What are the key properties of 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91272695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).