2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide

C17H26N4O3 — CID 99929661

IUPAC2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)nc(N)n1
InChIInChI=1S/C17H26N4O3/c1-11(2)13-9-14(21-16(18)20-13)15(22)19-12-3-6-24-17(10-12)4-7-23-8-5-17/h9,11-12H,3-8,10H2,1-2H3,(H,19,22)(H2,18,20,21)/t12-/m1/s1
InChIKeyARMASGMMIIUOCS-GFCCVEGCSA-N
MW334.42 g/mol
LogP1.64
Rot. Bonds3

About 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide

2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 99929661) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID99929661
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)nc(N)n1
InChIInChI=1S/C17H26N4O3/c1-11(2)13-9-14(21-16(18)20-13)15(22)19-12-3-6-24-17(10-12)4-7-23-8-5-17/h9,11-12H,3-8,10H2,1-2H3,(H,19,22)(H2,18,20,21)/t12-/m1/s1
InChIKeyARMASGMMIIUOCS-GFCCVEGCSA-N
XLogP1.64
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide (CID 99929661) is 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)nc(N)n1.
What is the InChIKey of 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ARMASGMMIIUOCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(2)13-9-14(21-16(18)20-13)15(22)19-12-3-6-24-17(10-12)4-7-23-8-5-17/h9,11-12H,3-8,10H2,1-2H3,(H,19,22)(H2,18,20,21)/t12-/m1/s1.
What are the key properties of 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 99929661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).