6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C15H24N4O — CID 71830568

IUPAC6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-4-7-16-14(20)13-10-12(11(2)3)17-15(18-13)19-8-5-6-9-19/h10-11H,4-9H2,1-3H3,(H,16,20)
InChIKeyKVDSCTRWXMGOAA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds5

About 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 71830568) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID71830568
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-4-7-16-14(20)13-10-12(11(2)3)17-15(18-13)19-8-5-6-9-19/h10-11H,4-9H2,1-3H3,(H,16,20)
InChIKeyKVDSCTRWXMGOAA-UHFFFAOYSA-N
XLogP2.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 70712572
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CID 70713542
CID 70713542
CID 70734720
CID 70734720
CID 70761821
CID 70761821
CID 70775966
CID 70775966
CID 71688584
CID 71688584
CID 71688607
CID 71688607
CID 71830556
CID 71830556
CID 71830565
CID 71830565
CID 71830615
CID 71830615
CID 71830697
CID 71830697
CID 72900082
CID 72900082

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 71830568) is 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(C(C)C)nc(N2CCCC2)n1.
What is the InChIKey of 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is KVDSCTRWXMGOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-7-16-14(20)13-10-12(11(2)3)17-15(18-13)19-8-5-6-9-19/h10-11H,4-9H2,1-3H3,(H,16,20).
What are the key properties of 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 71830568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).