4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide

C12H19N5O2 — CID 154214088

IUPAC4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1N1CCCN(CCO)CC1
InChIInChI=1S/C12H19N5O2/c13-11(19)10-8-14-9-15-12(10)17-3-1-2-16(4-5-17)6-7-18/h8-9,18H,1-7H2,(H2,13,19)
InChIKeyCCLQIIDAUBLNMG-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.92
Rot. Bonds4

About 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide

4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide (PubChem CID 154214088) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide
PubChem CID154214088
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1N1CCCN(CCO)CC1
InChIInChI=1S/C12H19N5O2/c13-11(19)10-8-14-9-15-12(10)17-3-1-2-16(4-5-17)6-7-18/h8-9,18H,1-7H2,(H2,13,19)
InChIKeyCCLQIIDAUBLNMG-UHFFFAOYSA-N
XLogP-0.92
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide (CID 154214088) is 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide is NC(=O)c1cncnc1N1CCCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide?
The InChIKey is CCLQIIDAUBLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-11(19)10-8-14-9-15-12(10)17-3-1-2-16(4-5-17)6-7-18/h8-9,18H,1-7H2,(H2,13,19).
What are the key properties of 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide?
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 154214088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).