2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile

C15H20N4 — CID 164638367

IUPAC2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N[C@H]2CCCCC23CCCC3)n1
InChIInChI=1S/C15H20N4/c16-11-12-6-10-17-14(18-12)19-13-5-1-2-7-15(13)8-3-4-9-15/h6,10,13H,1-5,7-9H2,(H,17,18,19)/t13-/m0/s1
InChIKeyMXCMAGQLCNDTSY-ZDUSSCGKSA-N
MW256.35 g/mol
LogP3.26
Rot. Bonds2

About 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile

2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile (PubChem CID 164638367) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile
PubChem CID164638367
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N[C@H]2CCCCC23CCCC3)n1
InChIInChI=1S/C15H20N4/c16-11-12-6-10-17-14(18-12)19-13-5-1-2-7-15(13)8-3-4-9-15/h6,10,13H,1-5,7-9H2,(H,17,18,19)/t13-/m0/s1
InChIKeyMXCMAGQLCNDTSY-ZDUSSCGKSA-N
XLogP3.26
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile (CID 164638367) is 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile is N#Cc1ccnc(N[C@H]2CCCCC23CCCC3)n1.
What is the InChIKey of 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile?
The InChIKey is MXCMAGQLCNDTSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4/c16-11-12-6-10-17-14(18-12)19-13-5-1-2-7-15(13)8-3-4-9-15/h6,10,13H,1-5,7-9H2,(H,17,18,19)/t13-/m0/s1.
What are the key properties of 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile?
2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(10S)-spiro[4.5]decan-10-yl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 164638367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).