N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

C19H29N7O — CID 154802881

IUPACN,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnn(C(C)C)c3)C2)n1
InChIInChI=1S/C19H29N7O/c1-12(2)26-10-15(9-22-26)8-21-16-6-7-25(11-16)18-13(3)14(4)23-17(24-18)19(27)20-5/h9-10,12,16,21H,6-8,11H2,1-5H3,(H,20,27)/t16-/m1/s1
InChIKeyJBMLYVWZDRWZLO-MRXNPFEDSA-N
MW371.49 g/mol
LogP1.60
Rot. Bonds6

About N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 154802881) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
PubChem CID154802881
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC NameN,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnn(C(C)C)c3)C2)n1
InChIInChI=1S/C19H29N7O/c1-12(2)26-10-15(9-22-26)8-21-16-6-7-25(11-16)18-13(3)14(4)23-17(24-18)19(27)20-5/h9-10,12,16,21H,6-8,11H2,1-5H3,(H,20,27)/t16-/m1/s1
InChIKeyJBMLYVWZDRWZLO-MRXNPFEDSA-N
XLogP1.60
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The IUPAC name of N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 154802881) is N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnn(C(C)C)c3)C2)n1.
What is the InChIKey of N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The InChIKey is JBMLYVWZDRWZLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N7O/c1-12(2)26-10-15(9-22-26)8-21-16-6-7-25(11-16)18-13(3)14(4)23-17(24-18)19(27)20-5/h9-10,12,16,21H,6-8,11H2,1-5H3,(H,20,27)/t16-/m1/s1.
What are the key properties of N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 154802881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).