2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide

C15H25N5O2 — CID 69045705

IUPAC2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide
SMILESCCCOc1nc(N)ncc1C(=O)NC(CC)C1CCCN1
InChIInChI=1S/C15H25N5O2/c1-3-8-22-14-10(9-18-15(16)20-14)13(21)19-11(4-2)12-6-5-7-17-12/h9,11-12,17H,3-8H2,1-2H3,(H,19,21)(H2,16,18,20)
InChIKeyMRVNZKVCXQKZKU-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.11
Rot. Bonds7

About 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide

2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide (PubChem CID 69045705) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide
PubChem CID69045705
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide
SMILESCCCOc1nc(N)ncc1C(=O)NC(CC)C1CCCN1
InChIInChI=1S/C15H25N5O2/c1-3-8-22-14-10(9-18-15(16)20-14)13(21)19-11(4-2)12-6-5-7-17-12/h9,11-12,17H,3-8H2,1-2H3,(H,19,21)(H2,16,18,20)
InChIKeyMRVNZKVCXQKZKU-UHFFFAOYSA-N
XLogP1.11
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide (CID 69045705) is 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide is CCCOc1nc(N)ncc1C(=O)NC(CC)C1CCCN1.
What is the InChIKey of 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide?
The InChIKey is MRVNZKVCXQKZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-3-8-22-14-10(9-18-15(16)20-14)13(21)19-11(4-2)12-6-5-7-17-12/h9,11-12,17H,3-8H2,1-2H3,(H,19,21)(H2,16,18,20).
What are the key properties of 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide?
2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propoxy-N-(1-pyrrolidin-2-ylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 69045705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).