(6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone

C11H17N5O2 — CID 74243755

IUPAC(6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCNCC(O)C2)cn1
InChIInChI=1S/C11H17N5O2/c1-12-11-14-4-8(5-15-11)10(18)16-3-2-13-6-9(17)7-16/h4-5,9,13,17H,2-3,6-7H2,1H3,(H,12,14,15)
InChIKeyUDSSLTZBDBOYCX-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.08
Rot. Bonds2

About (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone

(6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone (PubChem CID 74243755) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone
PubChem CID74243755
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCNCC(O)C2)cn1
InChIInChI=1S/C11H17N5O2/c1-12-11-14-4-8(5-15-11)10(18)16-3-2-13-6-9(17)7-16/h4-5,9,13,17H,2-3,6-7H2,1H3,(H,12,14,15)
InChIKeyUDSSLTZBDBOYCX-UHFFFAOYSA-N
XLogP-1.08
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone?
The IUPAC name of (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone (CID 74243755) is (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone is CNc1ncc(C(=O)N2CCNCC(O)C2)cn1.
What is the InChIKey of (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone?
The InChIKey is UDSSLTZBDBOYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-12-11-14-4-8(5-15-11)10(18)16-3-2-13-6-9(17)7-16/h4-5,9,13,17H,2-3,6-7H2,1H3,(H,12,14,15).
What are the key properties of (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone?
(6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone has a molecular weight of 251.29 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1,4-diazepan-1-yl)-[2-(methylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 74243755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).