5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide

C18H30ClN5O — CID 48680399

IUPAC5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NC(C)CN2CCCC(C)C2)n1
InChIInChI=1S/C18H30ClN5O/c1-5-24(6-2)18-20-10-15(19)16(22-18)17(25)21-14(4)12-23-9-7-8-13(3)11-23/h10,13-14H,5-9,11-12H2,1-4H3,(H,21,25)
InChIKeyROHIJJCAQTZEDU-UHFFFAOYSA-N
MW367.93 g/mol
LogP2.83
Rot. Bonds7

About 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide

5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide (PubChem CID 48680399) has the molecular formula C18H30ClN5O and a molecular weight of 367.93 g/mol. Its IUPAC name is 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide
PubChem CID48680399
Molecular FormulaC18H30ClN5O
Molecular Weight367.93 g/mol
Exact Mass367.21
IUPAC Name5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NC(C)CN2CCCC(C)C2)n1
InChIInChI=1S/C18H30ClN5O/c1-5-24(6-2)18-20-10-15(19)16(22-18)17(25)21-14(4)12-23-9-7-8-13(3)11-23/h10,13-14H,5-9,11-12H2,1-4H3,(H,21,25)
InChIKeyROHIJJCAQTZEDU-UHFFFAOYSA-N
XLogP2.83
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.93
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide (CID 48680399) is 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)NC(C)CN2CCCC(C)C2)n1.
What is the InChIKey of 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is ROHIJJCAQTZEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN5O/c1-5-24(6-2)18-20-10-15(19)16(22-18)17(25)21-14(4)12-23-9-7-8-13(3)11-23/h10,13-14H,5-9,11-12H2,1-4H3,(H,21,25).
What are the key properties of 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide?
5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 367.93 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 48680399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).