N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

C16H21N5S — CID 172881525

IUPACN-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1ncsc1CN1CCC(N(c2ccncn2)C2CC2)C1
InChIInChI=1S/C16H21N5S/c1-12-15(22-11-19-12)9-20-7-5-14(8-20)21(13-2-3-13)16-4-6-17-10-18-16/h4,6,10-11,13-14H,2-3,5,7-9H2,1H3
InChIKeyRVNWCHGZZQKNMC-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.48
Rot. Bonds5

About N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172881525) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172881525
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC NameN-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1ncsc1CN1CCC(N(c2ccncn2)C2CC2)C1
InChIInChI=1S/C16H21N5S/c1-12-15(22-11-19-12)9-20-7-5-14(8-20)21(13-2-3-13)16-4-6-17-10-18-16/h4,6,10-11,13-14H,2-3,5,7-9H2,1H3
InChIKeyRVNWCHGZZQKNMC-UHFFFAOYSA-N
XLogP2.48
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 172881525) is N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is Cc1ncsc1CN1CCC(N(c2ccncn2)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is RVNWCHGZZQKNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-12-15(22-11-19-12)9-20-7-5-14(8-20)21(13-2-3-13)16-4-6-17-10-18-16/h4,6,10-11,13-14H,2-3,5,7-9H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 315.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172881525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).