tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate

C17H24N6O2 — CID 86703922

IUPACtert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)21-11-5-4-8-23(9-11)13-7-6-12-14(22-13)15(18)20-10-19-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,24)(H2,18,19,20)/t11-/m0/s1
InChIKeyHQATWQPEBLWKRD-NSHDSACASA-N
MW344.42 g/mol
LogP2.10
Rot. Bonds2

About tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate (PubChem CID 86703922) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate
PubChem CID86703922
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Nametert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)21-11-5-4-8-23(9-11)13-7-6-12-14(22-13)15(18)20-10-19-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,24)(H2,18,19,20)/t11-/m0/s1
InChIKeyHQATWQPEBLWKRD-NSHDSACASA-N
XLogP2.10
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate (CID 86703922) is tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc3ncnc(N)c3n2)C1.
What is the InChIKey of tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate?
The InChIKey is HQATWQPEBLWKRD-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)21-11-5-4-8-23(9-11)13-7-6-12-14(22-13)15(18)20-10-19-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,24)(H2,18,19,20)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate has a molecular weight of 344.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 86703922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).