(5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane

C17H28N4 — CID 164637020

IUPAC(5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCN1CC[C@]2(CCN(Cc3cnc(C(C)(C)C)nc3)C2)C1
InChIInChI=1S/C17H28N4/c1-16(2,3)15-18-9-14(10-19-15)11-21-8-6-17(13-21)5-7-20(4)12-17/h9-10H,5-8,11-13H2,1-4H3/t17-/m0/s1
InChIKeyNEWJGBCZSCKEKC-KRWDZBQOSA-N
MW288.44 g/mol
LogP2.30
Rot. Bonds2

About (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane

(5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane (PubChem CID 164637020) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
PubChem CID164637020
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name(5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCN1CC[C@]2(CCN(Cc3cnc(C(C)(C)C)nc3)C2)C1
InChIInChI=1S/C17H28N4/c1-16(2,3)15-18-9-14(10-19-15)11-21-8-6-17(13-21)5-7-20(4)12-17/h9-10H,5-8,11-13H2,1-4H3/t17-/m0/s1
InChIKeyNEWJGBCZSCKEKC-KRWDZBQOSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane (CID 164637020) is (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane is CN1CC[C@]2(CCN(Cc3cnc(C(C)(C)C)nc3)C2)C1.
What is the InChIKey of (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is NEWJGBCZSCKEKC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N4/c1-16(2,3)15-18-9-14(10-19-15)11-21-8-6-17(13-21)5-7-20(4)12-17/h9-10H,5-8,11-13H2,1-4H3/t17-/m0/s1.
What are the key properties of (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane?
(5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 288.44 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(2-tert-butylpyrimidin-5-yl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 164637020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).