N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

C16H20N4 — CID 171994913

IUPACN-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1ccccc1CN1CCC(Nc2ccncn2)C1
InChIInChI=1S/C16H20N4/c1-13-4-2-3-5-14(13)10-20-9-7-15(11-20)19-16-6-8-17-12-18-16/h2-6,8,12,15H,7,9-11H2,1H3,(H,17,18,19)
InChIKeyTUDLTJOCHVPQIJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.47
Rot. Bonds4

About N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171994913) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171994913
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1ccccc1CN1CCC(Nc2ccncn2)C1
InChIInChI=1S/C16H20N4/c1-13-4-2-3-5-14(13)10-20-9-7-15(11-20)19-16-6-8-17-12-18-16/h2-6,8,12,15H,7,9-11H2,1H3,(H,17,18,19)
InChIKeyTUDLTJOCHVPQIJ-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172893096
4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171995555
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995148
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172881471
ethyl (E)-3-[5-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 140500508
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171995771
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
6-N-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171999428
N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887336
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171995465
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887317

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 171994913) is N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is Cc1ccccc1CN1CCC(Nc2ccncn2)C1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is TUDLTJOCHVPQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-4-2-3-5-14(13)10-20-9-7-15(11-20)19-16-6-8-17-12-18-16/h2-6,8,12,15H,7,9-11H2,1H3,(H,17,18,19).
What are the key properties of N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171994913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).