6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C14H24N4O3 — CID 63239465

IUPAC6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCC(O)C2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-8(2)7-18-12(15)11(13(20)17(3)14(18)21)16-6-10(19)9-4-5-9/h8-10,16,19H,4-7,15H2,1-3H3
InChIKeyHGCPQULYZYUJEQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.03
Rot. Bonds6

About 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 63239465) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID63239465
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCC(O)C2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-8(2)7-18-12(15)11(13(20)17(3)14(18)21)16-6-10(19)9-4-5-9/h8-10,16,19H,4-7,15H2,1-3H3
InChIKeyHGCPQULYZYUJEQ-UHFFFAOYSA-N
XLogP-0.03
TPSA102.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 63239465) is 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NCC(O)C2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is HGCPQULYZYUJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-8(2)7-18-12(15)11(13(20)17(3)14(18)21)16-6-10(19)9-4-5-9/h8-10,16,19H,4-7,15H2,1-3H3.
What are the key properties of 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63239465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).