2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine

C20H31N9 — CID 68628841

IUPAC2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncc(N)cn2)CC1.Nc1ccnc(N2CCNC3(CC3)C2)c1
InChIInChI=1S/C11H16N4.C9H15N5/c12-9-1-4-13-10(7-9)15-6-5-14-11(8-15)2-3-11;1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h1,4,7,14H,2-3,5-6,8H2,(H2,12,13);6-7H,2-5,10H2,1H3
InChIKeySCYHXTXEQIUYKJ-UHFFFAOYSA-N
MW397.53 g/mol
LogP0.42
Rot. Bonds2

About 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine

2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 68628841) has the molecular formula C20H31N9 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID68628841
Molecular FormulaC20H31N9
Molecular Weight397.53 g/mol
Exact Mass397.27
IUPAC Name2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncc(N)cn2)CC1.Nc1ccnc(N2CCNC3(CC3)C2)c1
InChIInChI=1S/C11H16N4.C9H15N5/c12-9-1-4-13-10(7-9)15-6-5-14-11(8-15)2-3-11;1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h1,4,7,14H,2-3,5-6,8H2,(H2,12,13);6-7H,2-5,10H2,1H3
InChIKeySCYHXTXEQIUYKJ-UHFFFAOYSA-N
XLogP0.42
TPSA112.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine (CID 68628841) is 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine is CN1CCN(c2ncc(N)cn2)CC1.Nc1ccnc(N2CCNC3(CC3)C2)c1.
What is the InChIKey of 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is SCYHXTXEQIUYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.C9H15N5/c12-9-1-4-13-10(7-9)15-6-5-14-11(8-15)2-3-11;1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h1,4,7,14H,2-3,5-6,8H2,(H2,12,13);6-7H,2-5,10H2,1H3.
What are the key properties of 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 397.53 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 68628841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).