6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione

C13H21N5O2 — CID 60759744

IUPAC6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC2CCN(C3CC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N5O2/c1-17-11(14)10(12(19)16-13(17)20)15-6-8-4-5-18(7-8)9-2-3-9/h8-9,15H,2-7,14H2,1H3,(H,16,19,20)
InChIKeyKMDRPTRGNTYXBI-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.45
Rot. Bonds4

About 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione

6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione (PubChem CID 60759744) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione
PubChem CID60759744
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC2CCN(C3CC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N5O2/c1-17-11(14)10(12(19)16-13(17)20)15-6-8-4-5-18(7-8)9-2-3-9/h8-9,15H,2-7,14H2,1H3,(H,16,19,20)
InChIKeyKMDRPTRGNTYXBI-UHFFFAOYSA-N
XLogP-0.45
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione (CID 60759744) is 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(NCC2CCN(C3CC3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione?
The InChIKey is KMDRPTRGNTYXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-17-11(14)10(12(19)16-13(17)20)15-6-8-4-5-18(7-8)9-2-3-9/h8-9,15H,2-7,14H2,1H3,(H,16,19,20).
What are the key properties of 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 60759744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).