6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine

C15H25N5O2 — CID 131656673

IUPAC6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCC2CCC3(CNCCOC3)O2)ncn1
InChIInChI=1S/C15H25N5O2/c1-20(2)14-7-13(18-11-19-14)17-8-12-3-4-15(22-12)9-16-5-6-21-10-15/h7,11-12,16H,3-6,8-10H2,1-2H3,(H,17,18,19)
InChIKeyOBCPOJDJEPOULR-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.49
Rot. Bonds4

About 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 131656673) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID131656673
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCC2CCC3(CNCCOC3)O2)ncn1
InChIInChI=1S/C15H25N5O2/c1-20(2)14-7-13(18-11-19-14)17-8-12-3-4-15(22-12)9-16-5-6-21-10-15/h7,11-12,16H,3-6,8-10H2,1-2H3,(H,17,18,19)
InChIKeyOBCPOJDJEPOULR-UHFFFAOYSA-N
XLogP0.49
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 131656673) is 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NCC2CCC3(CNCCOC3)O2)ncn1.
What is the InChIKey of 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is OBCPOJDJEPOULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-20(2)14-7-13(18-11-19-14)17-8-12-3-4-15(22-12)9-16-5-6-21-10-15/h7,11-12,16H,3-6,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 307.40 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 131656673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).