5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione

C10H16N4O2 — CID 90937516

IUPAC5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
SMILESNCc1[nH]c(=O)n(CC2CC2)c(=O)c1CN
InChIInChI=1S/C10H16N4O2/c11-3-7-8(4-12)13-10(16)14(9(7)15)5-6-1-2-6/h6H,1-5,11-12H2,(H,13,16)
InChIKeyVHQNUTPMDURYFC-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.14
Rot. Bonds4

About 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione

5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 90937516) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID90937516
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
SMILESNCc1[nH]c(=O)n(CC2CC2)c(=O)c1CN
InChIInChI=1S/C10H16N4O2/c11-3-7-8(4-12)13-10(16)14(9(7)15)5-6-1-2-6/h6H,1-5,11-12H2,(H,13,16)
InChIKeyVHQNUTPMDURYFC-UHFFFAOYSA-N
XLogP-1.14
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione (CID 90937516) is 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione is NCc1[nH]c(=O)n(CC2CC2)c(=O)c1CN.
What is the InChIKey of 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VHQNUTPMDURYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-3-7-8(4-12)13-10(16)14(9(7)15)5-6-1-2-6/h6H,1-5,11-12H2,(H,13,16).
What are the key properties of 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(aminomethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90937516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).