5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

C13H22N4 — CID 116974786

IUPAC5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCC(C)(C)c1cnc(NCC2CCCN2)nc1
InChIInChI=1S/C13H22N4/c1-13(2,3)10-7-15-12(16-8-10)17-9-11-5-4-6-14-11/h7-8,11,14H,4-6,9H2,1-3H3,(H,15,16,17)
InChIKeySRXSSBLMZPDLMM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.94
Rot. Bonds3

About 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 116974786) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID116974786
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCC(C)(C)c1cnc(NCC2CCCN2)nc1
InChIInChI=1S/C13H22N4/c1-13(2,3)10-7-15-12(16-8-10)17-9-11-5-4-6-14-11/h7-8,11,14H,4-6,9H2,1-3H3,(H,15,16,17)
InChIKeySRXSSBLMZPDLMM-UHFFFAOYSA-N
XLogP1.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974804
4,5-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 83838031
5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974799
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine
CID 91415480
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973111
4-tert-butyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 126546174
N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
CID 83841695
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
5-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 107584778

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 116974786) is 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is CC(C)(C)c1cnc(NCC2CCCN2)nc1.
What is the InChIKey of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is SRXSSBLMZPDLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2,3)10-7-15-12(16-8-10)17-9-11-5-4-6-14-11/h7-8,11,14H,4-6,9H2,1-3H3,(H,15,16,17).
What are the key properties of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 116974786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).