(6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

C19H29N5O2 — CID 96572458

IUPAC(6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)Oc1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc(N)n1
InChIInChI=1S/C19H29N5O2/c1-13(2)26-16-10-15(21-18(20)22-16)23-9-3-7-19(11-23)8-6-17(25)24(12-19)14-4-5-14/h10,13-14H,3-9,11-12H2,1-2H3,(H2,20,21,22)/t19-/m0/s1
InChIKeyDCORQGNSMOSZLB-IBGZPJMESA-N
MW359.47 g/mol
LogP2.22
Rot. Bonds4

About (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96572458) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96572458
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)Oc1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc(N)n1
InChIInChI=1S/C19H29N5O2/c1-13(2)26-16-10-15(21-18(20)22-16)23-9-3-7-19(11-23)8-6-17(25)24(12-19)14-4-5-14/h10,13-14H,3-9,11-12H2,1-2H3,(H2,20,21,22)/t19-/m0/s1
InChIKeyDCORQGNSMOSZLB-IBGZPJMESA-N
XLogP2.22
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one (CID 96572458) is (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one is CC(C)Oc1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc(N)n1.
What is the InChIKey of (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is DCORQGNSMOSZLB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13(2)26-16-10-15(21-18(20)22-16)23-9-3-7-19(11-23)8-6-17(25)24(12-19)14-4-5-14/h10,13-14H,3-9,11-12H2,1-2H3,(H2,20,21,22)/t19-/m0/s1.
What are the key properties of (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96572458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).